Results 31 to 40 of about 66,359 (302)

Inverse Identification of Energy‐Dependent Laser Absorptivity in NiTi Laser Powder‐Bed Fusion via Calibrated Melt Pool Simulation

Advanced Engineering Materials, EarlyView.
A combined experimental–computational framework identifies energy‐dependent laser absorptivity for NiTi in laser powder‐bed fusion, applicable to conduction and transition modes. Single‐track experiments and thermofluid smoothed particle hydrodynamics simulations are coupled through inverse analysis of melt pool geometry.
Mohamadreza Afrasiabi, Hadi Moutablaleh, Ignatius A. Setiawan, Mehrshad Mehrpouya   +3 more
wiley   +1 more source

Predicting blood–brain barrier permeability of molecules with a large language model and machine learning

Scientific Reports
Predicting the blood–brain barrier (BBB) permeability of small-molecule compounds using a novel artificial intelligence platform is necessary for drug discovery.
Eddie T. C. Huang, Jai-Sing Yang, Ken Y. K. Liao, Warren C. W. Tseng, C. K. Lee, Michelle Gill, Colin Compas, Simon See, Fuu-Jen Tsai   +8 more
doaj   +1 more source

Accelerating genomic workflows using NVIDIA Parabricks

BMC Bioinformatics, 2023
Background As genome sequencing becomes better integrated into scientific research, government policy, and personalized medicine, the primary challenge for researchers is shifting from generating raw data to analyzing these vast datasets.
Kyle A. O’Connell, Zelaikha B. Yosufzai, Ross A. Campbell, Collin J. Lobb, Haley T. Engelken, Laura M. Gorrell, Thad B. Carlson, Josh J. Catana, Dina Mikdadi, Vivien R. Bonazzi, Juergen A. Klenk   +10 more
doaj   +1 more source

Meeting the challenge of JUNO simulation with Opticks: GPU optical photon acceleration via NVIDIA® OptiXTM [PDF]

EPJ Web of Conferences, 2020
Opticks is an open source project that accelerates optical photon simulation by integrating NVIDIA GPU ray tracing, accessed via NVIDIA OptiX, with Geant4 toolkit based simulations.
Blyth Simon
doaj   +1 more source

The NVIDIA AI City Challenge

2017 IEEE SmartWorld, Ubiquitous Intelligence & Computing, Advanced & Trusted Computed, Scalable Computing & Communications, Cloud & Big Data Computing, Internet of People and Smart City Innovation (SmartWorld/SCALCOM/UIC/ATC/CBDCom/IOP/SCI), 2017
Web image analysis has witnessed an AI renaissance. The ILSVRC benchmark has been instrumental in providing a corpus and standardized evaluation. The NVIDIA AI City Challenge is envisioned to provide similar impetus to the analysis of image and video data that helps make cities smarter and safer. In its first year, this Challenge has focused on traffic
Milind Naphade, David C. Anastasiu, Anuj Sharma 0001, Vamsi Jagrlamudi, Hyeran Jeon, Kaikai Liu, Ming-Ching Chang, Siwei Lyu, Jerry Zeyu Gao   +8 more
openaire   +3 more sources

Inverse Design of Amorphous Materials With Targeted Properties

Advanced Materials, EarlyView.
AMDEN is a diffusion model framework for the inverse design of amorphous materials with targeted properties. By incorporating Hamiltonian Monte Carlo refinement into the denoising process, the framework overcomes the challenge of generating thermally relaxed disordered structures.
Jonas A. Finkler, Yan Lin, Tao Du, Jilin Hu, Morten M. Smedskjaer   +4 more
wiley   +1 more source

Generative Data Assimilation of Sparse Weather Station Observations at Kilometer Scales

Journal of Advances in Modeling Earth Systems
Data assimilation of observations into full atmospheric states is essential for weather forecast model initialization. Recently, methods for deep generative data assimilation have been proposed which allow for using new input data without retraining the ...
Peter Manshausen, Yair Cohen, Peter Harrington, Jaideep Pathak, Mike Pritchard, Piyush Garg, Morteza Mardani, Karthik Kashinath, Simon Byrne, Noah Brenowitz   +9 more
doaj   +1 more source

NVIDIA/cuQuantum: cuQuantum v22.07.0

, 2022
Documentation and full release notes for all versions are located here: https://docs.nvidia.com/cuda/cuquantum/index ...
sam-stanwyck, Leo Fang, hhbayraktar, ahehn-nv   +3 more
core   +1 more source

Bidirectional Process Prediction in the Laser‐Induced‐Graphene Production Using Blackbox Deep Learning

Advanced Materials Technologies, EarlyView.
This study shows that a lightweight blackbox neural network provides a practical, cost‐effective solution for bidirectional process prediction in laser‐induced graphene (LIG) fabrication. Achieving high predictive performance with minimal overhead, the approach democratizes machine learning (ML) for resource‐limited environments.
Maxim Polomoshnov, Nitheesh M. Nair, Gerardo Hernández‐Sosa, Markus Reischl   +3 more
wiley   +1 more source

Improving protein-ligand complex generation with force field guidance

Journal of Cheminformatics
Generative models based on diffusion and flow matching have recently been applied to structure-based drug design, but their outputs often include unrealistic protein–ligand interactions that do not obey the laws of physics.
Helen Lai, Tingyu Wang, Hassan Sirelkhatim, Joe Eaton, Howard Huang, Brad Rees, Ola Engkvist, Jon Paul Janet, Xiaoyun Wang, Alessandro Tibo   +9 more
doaj   +1 more source